N-(2-phenylethyl)-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide

C23H19N7O — CID 15990278

IUPACN-(2-phenylethyl)-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide
SMILESO=C(NCCc1ccccc1)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1
InChIInChI=1S/C23H19N7O/c31-23(24-15-14-16-6-2-1-3-7-16)17-10-12-18(13-11-17)25-21-22-27-28-29-30(22)20-9-5-4-8-19(20)26-21/h1-13H,14-15H2,(H,24,31)(H,25,26)
InChIKeyRUKBDNQZONTGCJ-UHFFFAOYSA-N
MW409.45 g/mol
LogP3.39
Rot. Bonds6

About N-(2-phenylethyl)-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide

N-(2-phenylethyl)-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide (PubChem CID 15990278) has the molecular formula C23H19N7O and a molecular weight of 409.45 g/mol. Its IUPAC name is N-(2-phenylethyl)-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide
PubChem CID15990278
Molecular FormulaC23H19N7O
Molecular Weight409.45 g/mol
Exact Mass409.17
IUPAC NameN-(2-phenylethyl)-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide
SMILESO=C(NCCc1ccccc1)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1
InChIInChI=1S/C23H19N7O/c31-23(24-15-14-16-6-2-1-3-7-16)17-10-12-18(13-11-17)25-21-22-27-28-29-30(22)20-9-5-4-8-19(20)26-21/h1-13H,14-15H2,(H,24,31)(H,25,26)
InChIKeyRUKBDNQZONTGCJ-UHFFFAOYSA-N
XLogP3.39
TPSA97.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

Morpholin-4-Yl[4-(Tetrazolo[1,5-A]quinoxalin-4-Ylamino)phenyl]methanone
CID 22432631
N-Benzyl-4-Methyl-1-Phenyl[1,2,4]triazolo[4,3-A]quinoxaline-8-Carboxamide
CID 71153223
1-(2-chlorophenyl)-N,4-dimethyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
CID 71153303
N-[2-(dimethylamino)ethyl]-4-({[4-(3-ethyl-7-morpholin-4-yl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl)phenyl]carbamoyl}amino)benzamide
CID 44187952
N-ethyl-4-[[4-(3-ethyl-7-morpholin-4-yltriazolo[4,5-d]pyrimidin-5-yl)phenyl]carbamoylamino]benzamide
CID 44188322
4-{3-[4-(3-isopropyl-7-morpholin-4-yl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl)-phenyl]-ureido}-benzamide
CID 44189192
4-(3-(4-(3-ethyl-7-morpholino-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl)phenyl)ureido)benzamide
CID 44819201
4-({[4-(3-ethyl-7-morpholin-4-yl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl)phenyl]carbamoyl}amino)-N,N-dimethylbenzamide
CID 44819203
N-benzyl-1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
CID 71152297
1-(2,6-dichlorophenyl)-N-ethyl-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
CID 71153238
1-(2-chlorophenyl)-N-ethyl-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
CID 71153309
4-Amino-3-{6-[(4-methylpiperazinyl)carbonyl]benzimidazol-2-yl}hydroquinolin-2-one
CID 135674144

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide?
The IUPAC name of N-(2-phenylethyl)-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide (CID 15990278) is N-(2-phenylethyl)-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide.
What is the SMILES notation for N-(2-phenylethyl)-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide?
The canonical SMILES for N-(2-phenylethyl)-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide is O=C(NCCc1ccccc1)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1.
What is the InChIKey of N-(2-phenylethyl)-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide?
The InChIKey is RUKBDNQZONTGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N7O/c31-23(24-15-14-16-6-2-1-3-7-16)17-10-12-18(13-11-17)25-21-22-27-28-29-30(22)20-9-5-4-8-19(20)26-21/h1-13H,14-15H2,(H,24,31)(H,25,26).
What are the key properties of N-(2-phenylethyl)-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide?
N-(2-phenylethyl)-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide has a molecular weight of 409.45 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide is sourced from PubChem (CID 15990278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).